Spektraris NMR
Scortechinone G
Common Name: Scortechinone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O9/c1-17(2)11-12-20-25(36)23-26(37)21-15-33(41-10)16-22-32(7,8)44-34(30(33)39,14-13-18(3)29(38)40-9)35(21,22)43-28(23)24-27(20)42-19(4)31(24,5)6/h11,13,15,19,22,36H,12,14,16H2,1-10H3/b18-13+/t19-,22?,33-,34+,35-/m0/s1
InChIKey: InChIKey=GLWVKEXUTBAGCF-AXPZDDJISA-N
Formula: C35H42O9
Molecular Weight: 606.703912
Exact Mass: 606.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Painuphong, P., Sukpondma, Y., Koysomboon, S., Sawangchote, P., Taylor, W.C. J Nat Prod (2003) 66, 933-8
Species:
Notes: Family : Aromatics, Type : Xanthones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 163.5 |
| 2 (C) | 106.1 |
| 3 (C) | 166.9 |
| 4 (C) | 112 |
| 4a (C) | 154 |
| 5 (C) | 83.6 |
| 6 (C) | 201.8 |
| 7 (C) | 84.9 |
| 8 (CH) | 135.3 |
| 8a (C) | 132.1 |
| 9 (C) | 177.6 |
| 9a (C) | 101.4 |
| 10a (C) | 89.4 |
| 1' (C) | 43.7 |
| 2' (CH) | 91.3 |
| 3' (CH3) | 28.2 |
| 4' (CH3) | 20.3 |
| 5' (CH3) | 16.4 |
| 1'' (CH2) | 30.8 |
| 2'' (CH) | 49.9 |
| 3'' (C) | 83.6 |
| 4'' (CH3) | 30.9 |
| 5'' (CH3) | 29 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.6 |
| 2c (C) | 132.1 |
| 2d (CH3) | 25.7 |
| 2ca (CH3) | 17.8 |
| 5a (CH2) | 29.1 |
| 5b (CH) | 133.3 |
| 5c (C) | 130.2 |
| 5d (C) | 167.5 |
| 5e (CH3) | 11.8 |
| 5f (CH3) | 51.8 |
| 7a (CH3) | 54 |
